UCSF

ZINC19536832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 4.61 -49.81 1 6 1 67 226.256 3
Mid Mid (pH 6-8) 0.97 4.68 -41.6 1 6 1 67 226.256 3
Mid Mid (pH 6-8) 0.97 2.21 -8.12 0 6 0 65 225.248 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )